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Sugi Predict / Compounds / SCHEMBL990909

SCHEMBL990909

SCHEMBL990909

O=C(COCCOCc1ccccc1)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.45
▸ EPHX2 P34913 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PTGES O14684 2/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ PTPRG P23470 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ PTPN3 P26045 1/20 0.36
▸ PTPRM P28827 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ PTPN9 P43378 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PTPN12 Q05209 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16390663 0.86 EPHX2 (0.53) GRM5EPHX2SIGMAR1THRBHPGD
SCHEMBL990289 0.86 EPHX2 (0.53) GRM5EPHX2SIGMAR1THRBHPGD
SCHEMBL4656000 0.81 HPGD (0.55) GRM5L3MBTL1HPGD
SCHEMBL991376 0.81 HPGD (0.55) GRM5L3MBTL1HPGD
SCHEMBL990965 0.80 GRM5 (0.44) GRM5EPHX2L3MBTL1THRBHPGD
SCHEMBL4722043 0.79 PLAAT3 (0.44) GRM5EPHX2L3MBTL1SIGMAR1THRB
SCHEMBL990846 0.78 NPC1 (0.46) GRM5EPHX2SIGMAR1
SCHEMBL990340 0.76 L3MBTL1 (0.59) GRM5L3MBTL1
SCHEMBL990107 0.76 ALDH1A1 (0.49) GRM5EPHX2L3MBTL1HPGD
SCHEMBL990808 0.76 ALDH1A1 (0.49) GRM5EPHX2L3MBTL1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272929-A1 ORGANIC COMPOUNDS UMBRICHT DANIEL (CH) 2015-10-01 — — US disclosed
US-20140194423-A1 COMBINATION PRODUCTS GOMEZ-MANCILLA BALTAZAR (CH) 2014-07-10 — — US disclosed
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 — — US disclosed
US-8703809-B2 Combination products NOVARTIS AG (CH) 2014-04-22 — — US disclosed
US-20130052644-A1 Predictive Markers Useful in the Treatment of Fragile X Syndrome (FXS) NOVARTIS AG (CH) 2013-02-28 — — US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 — — US disclosed
US-20120122878-A1 COMBINATION PRODUCTS NOVARTIS AG (CH) 2012-05-17 — — US disclosed
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 — — EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 — — EP disclosed
US-20100249136-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-30 — — US disclosed
EP-2211859-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2010-08-04 — — EP disclosed
US-20100099682-A1 ACETYLENE DERIVATIVES NOVARTIS AG 2010-04-22 — — US disclosed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 — — US disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 — — US disclosed
WO-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 — — WO disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 — — EP disclosed
WO-2009047296-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-04-16 — — WO disclosed
WO-2009047303-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDER NOVARTIS AG (CH) 2009-04-16 — — WO disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 — — US disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099682-A1 ACETYLENE DERIVATIVES NAT1, NAT10, F12 GRM5 3794/4885EPHX2 3477/4885L3MBTL1 4519/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885EPHX2 1834/4885L3MBTL1 3004/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885EPHX2 1962/4885L3MBTL1 2936/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885EPHX2 1962/4885L3MBTL1 2936/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 GRM5 1/4885EPHX2 857/4885L3MBTL1 1867/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 GRM5 1/4885EPHX2 2283/4885L3MBTL1 2109/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 GRM5 1/4885EPHX2 857/4885L3MBTL1 1867/4885
US-20100249136-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 GRM5 1/4885EPHX2 2283/4885L3MBTL1 2109/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 GRM5 3794/4885EPHX2 3477/4885L3MBTL1 4519/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.